N-(3-氯丙基)二苄胺盐酸盐
TL;DR: N-(3-氯丙基)二苄胺盐酸盐 (CAS 3161-50-0) is a chemical compound with molecular formula C17H21Cl2N and molecular weight 309.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-氯丙基)二苄胺盐酸盐
dibenzyl(3-chloropropyl)azanium chloride
Also Known As: N-(3-Chloropropyl)dibenzylamine hydrochloride, dibenzyl(3-chloropropyl)azanium chloride, dibenzyl(3-chloropropyl)azanium,chloride, DIBENZYLAMINE, N-(3-CHLOROPROPYL)-, HYDROCHLORIDE, N,N-dibenzyl-3-chloropropan-1-aminium chloride
| Molecular Formula | C17H21Cl2N |
|---|---|
| Molecular Weight | 309.11 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 309.1051 |
| Heavy Atoms | 20 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 3161-50-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[NH+](CCCCl)CC2=CC=CC=C2.[Cl-] |
| InChIKey | HDLKMQJBVYZUHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-氯丙基)二苄胺盐酸盐 (CAS 3161-50-0), with molecular formula C17H21Cl2N and molecular weight 309.11 g/mol. IUPAC: dibenzyl(3-chloropropyl)azanium chloride.
Chemical Property Profile of N-(3-氯丙基)二苄胺盐酸盐
Property Insights of N-(3-氯丙基)二苄胺盐酸盐
The XLogP value of -0.1 indicates that N-(3-氯丙基)二苄胺盐酸盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 4.4 Ų, N-(3-氯丙基)二苄胺盐酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-氯丙基)二苄胺盐酸盐 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-氯丙基)二苄胺盐酸盐?
The CAS number of N-(3-氯丙基)二苄胺盐酸盐 is 3161-50-0.
What is the molecular formula of N-(3-氯丙基)二苄胺盐酸盐?
The molecular formula of N-(3-氯丙基)二苄胺盐酸盐 is C17H21Cl2N.
What is the molecular weight of N-(3-氯丙基)二苄胺盐酸盐?
The molecular weight of N-(3-氯丙基)二苄胺盐酸盐 is 309.11 g/mol.
Where can I buy N-(3-氯丙基)二苄胺盐酸盐?
You can request a quote for N-(3-氯丙基)二苄胺盐酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-氯丙基)二苄胺盐酸盐?
Yes, KEHONG BIO provides custom synthesis services for N-(3-氯丙基)二苄胺盐酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.